
 CHEMBL491474

 58 59  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL491474

>  <PubChem CID>
9845493

>  <Formula>
C21H29ClO7

>  <Molecular Weight>
428.906000

>  <IUPAC Name>
(Z)-7-[(1S,2R,3R,5S)-2-[(2R)-3-(3-chlorophenoxy)-2-hydroxypropoxy]-3,5-dihydroxycyclopentyl]hept-5-enoic acid

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1C(C(C(C1O)OCC(COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)O)O

>  <Isomeric SMILES>
C1[C@@H]([C@@H]([C@H]([C@@H]1O)OC[C@H](COC2=CC(=CC=C2)Cl)O)C/C=C\CCCC(=O)O)O

>  <InChI Std. ID>
InChI=1S/C21H29ClO7/c22-14-6-5-7-16(10-14)28-12-15(23)13-29-21-17(18(24)11-19(21)25)8-3-1-2-4-9-20(26)27/h1,3,5-7,10,15,17-19,21,23-25H,2,4,8-9,11-13H2,(H,26,27)/b3-1-/t15-,17-,18-,19+,21+/m0/s1

>  <InChI Key>
HKIVGBPAUZBIOJ-MSKGSUGCSA-N

